⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28645287 | 0.64 | — | — | |
| SCHEMBL11797832 | 0.61 | — | — | |
| SCHEMBL9381557 | 0.57 | — | — | |
| SCHEMBL28827769 | 0.55 | HSP90AA1 (0.33) | — | |
| SCHEMBL2297902 | 0.55 | — | — | |
| SCHEMBL902094 | 0.54 | — | — | |
| SCHEMBL357159 | 0.49 | — | — | |
| SCHEMBL1056990 | 0.48 | — | — | |
| SCHEMBL3130807 | 0.48 | — | — | |
| SCHEMBL27805069 | 0.47 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2365809-A1 | PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS | ARIAD Pharmaceuticals, Inc (US) | 2011-09-21 | — | — | EP | disclosed |
| WO-2010056311-A1 | PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS | ARIAD PHARMACEUTICALS, INC. (US) | 2010-05-20 | — | — | WO | disclosed |